(3R)-N-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]piperidine-3-carboxamide

C20H23ClFN3O2 — CID 50991506

IUPAC(3R)-N-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCC(C)Oc1ccc(F)cc1-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
InChIInChI=1S/C20H23ClFN3O2/c1-12(2)27-18-6-5-14(22)8-16(18)15-9-19(24-11-17(15)21)25-20(26)13-4-3-7-23-10-13/h5-6,8-9,11-13,23H,3-4,7,10H2,1-2H3,(H,24,25,26)/t13-/m1/s1
InChIKeyWUIYYLQXGFFWTL-CYBMUJFWSA-N
MW391.87 g/mol
LogP4.27
Rot. Bonds5

About (3R)-N-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]piperidine-3-carboxamide

(3R)-N-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 50991506) has the molecular formula C20H23ClFN3O2 and a molecular weight of 391.87 g/mol. Its IUPAC name is (3R)-N-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]piperidine-3-carboxamide
PubChem CID50991506
Molecular FormulaC20H23ClFN3O2
Molecular Weight391.87 g/mol
Exact Mass391.15
IUPAC Name(3R)-N-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCC(C)Oc1ccc(F)cc1-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
InChIInChI=1S/C20H23ClFN3O2/c1-12(2)27-18-6-5-14(22)8-16(18)15-9-19(24-11-17(15)21)25-20(26)13-4-3-7-23-10-13/h5-6,8-9,11-13,23H,3-4,7,10H2,1-2H3,(H,24,25,26)/t13-/m1/s1
InChIKeyWUIYYLQXGFFWTL-CYBMUJFWSA-N
XLogP4.27
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.87
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-(5-Chloropyridin-2-yl)-3-[2-(3-ethoxy-2,6-difluorophenyl)cyclopropyl]urea
CID 468174
3-[2-(6-Chloro-3-ethoxy-2-fluorophenyl)cyclopropyl]-1-(5-chloropyridin-2-yl)urea
CID 468176
1-(5-Chloropyridin-2-yl)-3-[2-(2-fluoro-3,6-dimethoxyphenyl)ethyl]urea
CID 469201
N-(4-(4-chlorobenzyloxy)pyridin-2-yl)-2-(2,6-difluorophenyl)acetamide
CID 71089297
US9902722, Example 8
CID 118420290
US10155760, Example 1
CID 118420330
1-(5-Chloro-2-pyridyl)-3-[2-(3-ethoxy-2-fluoro-6-methoxy-phenyl)ethyl]urea
CID 469202
1-(5-chloro-2-pyridyl)-3-[(1R,2R)-2-(3-ethoxy-2,6-difluoro-phenyl)cyclopropyl]urea
CID 469283
1-(5-chloro-2-pyridyl)-3-[(1R,2R)-2-(2-fluoro-3,6-dimethoxy-phenyl)cyclopropyl]urea
CID 469284
1-[(1R,2R)-2-(6-chloro-3-ethoxy-2-fluoro-phenyl)cyclopropyl]-3-(5-chloro-2-pyridyl)urea
CID 469285
Cdk-IN-2
CID 50991505
cis-(1S,3R)-3-acetamido-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclohexane-1-carboxamide
CID 53373586

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]piperidine-3-carboxamide (CID 50991506) is (3R)-N-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]piperidine-3-carboxamide is CC(C)Oc1ccc(F)cc1-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl.
What is the InChIKey of (3R)-N-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is WUIYYLQXGFFWTL-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23ClFN3O2/c1-12(2)27-18-6-5-14(22)8-16(18)15-9-19(24-11-17(15)21)25-20(26)13-4-3-7-23-10-13/h5-6,8-9,11-13,23H,3-4,7,10H2,1-2H3,(H,24,25,26)/t13-/m1/s1.
What are the key properties of (3R)-N-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]piperidine-3-carboxamide?
(3R)-N-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 391.87 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 50991506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).